UCSF

ZINC49443273

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 1.03 -15 2 6 0 88 297.38 5
Hi High (pH 8-9.5) 0.77 0.86 -47.06 1 6 -1 90 296.372 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )